Mrv1718009111818182D          

  3  0  0  0  0  0            999 V2000
   -0.0024   -0.5354    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   -1.8568    0.5354    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8569    0.5354    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   3   2  -1   3  -2
M  END
> <DATABASE_ID>
DB14695

> <DATABASE_NAME>
drugbank

> <SMILES>
[OH-].[O--].[Fe+3]

> <INCHI_IDENTIFIER>
InChI=1S/Fe.H2O.O/h;1H2;/q+3;;-2/p-1

> <INCHI_KEY>
IEECXTSVVFWGSE-UHFFFAOYSA-M

> <FORMULA>
FeHO2

> <MOLECULAR_WEIGHT>
88.851

> <EXACT_MASS>
88.93259

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iron(3+) hydroxide oxidandiide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
5.46

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.58

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
iron(3+) hydroxide oxidandiide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14695

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Ferric oxyhydroxide

> <SYNONYMS>
Hydrated ferric oxide; Iron hydroxide oxide

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